Chem Decyltriphenylphosphaniumbromide Dsrpl

Compound 409
  CheckMol                        TMF02:r0:m0
MF=C28H36BrP MW=483.47
 30 31  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4271    0.0969   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882   -1.1993   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.1903    1.4174   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6882    1.4174   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9535    0.1090   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4514   -2.4955   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1860   -1.1872   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.6210    2.6530   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7167    1.4295   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1860    1.4295   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.1606    2.9680   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7167   -1.1872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7124   -3.7917   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4471   -2.4834   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2145    4.0582   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.4799    2.7499   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4471    2.7499   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7124    4.0582   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2431   -1.1751   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -3.7796   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7409    4.0703   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2102    4.0703   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.0063   -2.4713   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5327   -2.4592   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2958   -3.7554   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8222   -3.7433   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5854   -5.0395   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1118   -5.0274   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8750   -6.3236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7 02  0  1  0  0
  3  8 01  0  1  0  0
  4  9 02  0  1  0  0
  4 10 01  0  1  0  0
  5 11 02  0  1  0  0
  5 12 01  0  1  0  0
  6 13  1  0  0  0  0
  7 14 01  0  1  0  0
  8 15 02  0  1  0  0
  9 16 01  0  1  0  0
 10 17 02  0  1  0  0
 11 18 01  0  1  0  0
 12 19 02  0  1  0  0
 13 20  1  0  0  0  0
 14 21 02  0  1  0  0
 16 22 02  0  1  0  0
 18 23 02  0  1  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 21 01  0  1  0  0
 17 22 01  0  1  0  0
 19 23 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Decyl(triphenyl)phosphaniumbromide

₹ 0.00 0.00

Chemical Name - Decyl(triphenyl)phosphaniumbromide
Mol Weight - 403.568
Smiles - CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

Property Name	Property Value
Mol Name	Decyl(triphenyl)phosphaniumbromide
Molweight	403.568
Monoisotopic Mass	403.255462
Clogp	9.258
Clogs	-7.875
Total Surface Area	342.38
Druglikeness	-32.598
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.51724
Molecular Flexibility	0.46616
Molecular Complexity	0.6621
Fragments	2
Non H Atoms	29
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	12
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	11
Symmetric Atoms	14
Smiles	CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey	InChI=1S/C28H36P.BrH/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1
InChI	GVPLMQGXUUHCSB-UHFFFAOYSA-M

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Decyl(triphenyl)phosphaniumbromide